General Information of the Compound
| Compound ID |
CP0013571
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| Compound Name |
1-((2′-chloro-5′-(trifluoromethyl)-[1,1′-biphenyl]-3-yl)oxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C25H23ClF3NO2
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| Molecular Weight |
461.911
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| Canonical SMILES |
OC(COc1cccc(c1)-c1cc(ccc1Cl)C(F)(F)F)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H23ClF3NO2/c26-24-9-8-20(25(27,28)29)13-23(24)18-6-3-7-22(12-18)32-16-21(31)15-30-11-10-17-4-1-2-5-19(17)14-30/h1-9,12-13,21,31H,10-11,14-16H2
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| InChIKey |
KGYMXUYYAMJHKB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound